Molecule ID: mol7022

SMILES: CNc1nc(Cl)nc(C)c1N

InChI: InChI=1S/C6H9ClN4/c1-3-4(8)5(9-2)11-6(7)10-3/h8H2,1-2H3,(H,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.40 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization